Geometry & MOs

Info

ID:

114677

PubChem CID:

50492068

Reduced:

F2O5N6C39H46 (1)

Stoich.:

A2B5C6D39E46 (1)

Weight, g/mol:

738.334125

ΔHf, kcal/mol:

-280.88

Dipole, Da:

4.63

IP(EA), eV:

 -8.32(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-[(3-fluorobenzoyl)amino]anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[3-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=C(C=C3)NC(=O)C4CCCCC4)C(=O)NC5=CC(=C(C=C5)F)F

DOS

IR

Vibrations